N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-2-nitro-benzamide Openeye Name: 2-nitro-N-[[2-(p-tolyl)benzotriazol-5-yl]carbamothioyl]benzamide CAS Name: N-[[[2-(4-methylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-2-nitrobenzamide Traditional Name: 2-nitro-N-[[2-(p-tolyl)benzotriazol-5-yl]thiocarbamoyl]benzamide Formula: C21H16N6O3S MolecularWeight: 432.45514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H16N6O3S/c1-13-6-9-15(10-7-13)26-24-17-11-8-14(12-18(17)25-26)22-21(31)23-20(28)16-4-2-3-5-19(16)27(29)30/h2-12H,1H3,(H2,22,23,28,31)